![2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol structure](/static/products/896/896809-45-3.png)
2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol
TL;DR: 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol (CAS 896809-45-3) is a chemical compound with molecular formula C25H19BrF3N3O3 and molecular weight 545.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-bromophenyl)methoxy]phenol
Also Known As: 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol, (6Z)-6-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidin-4-ylidene]-3-[(4-bromophenyl)methoxy]cyclohexa-2,4-dien-1-one, 2-(2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl)-5-((4-bromobenzyl)oxy)phenol, 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-bromobenzyl)oxy]phenol, 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-bromop henyl)methoxy]phenol
| Molecular Formula | C25H19BrF3N3O3 |
|---|---|
| Molecular Weight | 545.06 g/mol |
| LogP | 6.4673 |
| Topological Polar Surface Area | 90.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 545.0562 |
| Heavy Atoms | 35 |
| Complexity | 1362.6512 |
Chemical Identifiers
| CAS Number | 896809-45-3 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=C(N=C(N=C2C(F)(F)F)N)C3=C(C=C(C=C3)OCC4=CC=C(C=C4)Br)O |
Product Overview
2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol (CAS 896809-45-3), with molecular formula C25H19BrF3N3O3 and molecular weight 545.06 g/mol. IUPAC: 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-bromophenyl)methoxy]phenol.
Chemical Property Profile of 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol
Property Insights of 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol
The XLogP value of 6.4673 indicates that 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol. Following Lipinski's Rule of Five, 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol?
The CAS number of 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol is 896809-45-3.
What is the molecular formula of 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol?
The molecular formula of 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol is C25H19BrF3N3O3.
What is the molecular weight of 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol?
The molecular weight of 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol is 545.06 g/mol.
Where can I buy 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol?
You can request a quote for 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-amino-5-(2-methoxyphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]-5-[(4-bromobenzyl)oxy]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.